smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1 ZINC000009323176 132313701 /nfs/dbraw/zinc/31/37/01/132313701.db2.gz LCKDJEXJXTZHAP-MOSHPQCFSA-N 0 2 432.501 5.022 40 10 IKCBLN N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC=C(c3ccc(F)cc3)N21 ZINC000041083589 526835865 /nfs/dbraw/zinc/83/58/65/526835865.db2.gz HCRQUGDYKDKIDQ-KFQNLNRXSA-N 0 2 434.279 5.142 40 10 IKCBLN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)C1CCCCC1 ZINC000001679492 555709227 /nfs/dbraw/zinc/70/92/27/555709227.db2.gz VGZBEVNPISKBMY-UHFFFAOYSA-N 0 2 449.205 7.046 40 10 IKCBLN [O-]c1c(Cl)cc(Cl)cc1C[N@H+](Cc1cc(Cl)cc(Cl)c1O)C1CCCCC1 ZINC000001679492 555709230 /nfs/dbraw/zinc/70/92/30/555709230.db2.gz VGZBEVNPISKBMY-UHFFFAOYSA-N 0 2 449.205 7.046 40 10 IKCBLN Oc1c(Cl)cc(Cl)cc1CN(Cc1cc(Cl)cc(Cl)c1O)c1ccccc1 ZINC000001679795 555709260 /nfs/dbraw/zinc/70/92/60/555709260.db2.gz UMAYAMDWTKDSBZ-UHFFFAOYSA-N 0 2 443.157 6.918 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1C ZINC000408536461 555772084 /nfs/dbraw/zinc/77/20/84/555772084.db2.gz WOALHUIMILIVGB-CQDMZVLKSA-N 0 2 439.475 5.298 40 10 IKCBLN [O-]c1c(Cl)cc(Cl)cc1[C@H]1N2c3ccccc3-n3cccc3[C@H]2[C@H]2CCCC[N@@H+]21 ZINC000005390261 556049524 /nfs/dbraw/zinc/04/95/24/556049524.db2.gz BOKCTHBMFIEXGP-FUPPJEDESA-N 0 2 426.347 5.918 40 10 IKCBLN [O-]c1c(Cl)cc(Cl)cc1[C@H]1N2c3ccccc3-n3cccc3[C@H]2[C@H]2CCCC[N@H+]21 ZINC000005390261 556049526 /nfs/dbraw/zinc/04/95/26/556049526.db2.gz BOKCTHBMFIEXGP-FUPPJEDESA-N 0 2 426.347 5.918 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)c1 ZINC000408739963 556211257 /nfs/dbraw/zinc/21/12/57/556211257.db2.gz HAWJFOJBCNNQAE-WJDWOHSUSA-N 0 2 441.270 5.228 40 10 IKCBLN Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408868436 556460547 /nfs/dbraw/zinc/46/05/47/556460547.db2.gz ORJRKUFRMPFTEK-HZHRSRAPSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4F)cc3)C2=O)cc1Cl ZINC000408872291 556463403 /nfs/dbraw/zinc/46/34/03/556463403.db2.gz CPDBTUSJBOZZCS-DEDYPNTBSA-N 0 2 448.881 5.045 40 10 IKCBLN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408895291 556480517 /nfs/dbraw/zinc/48/05/17/556480517.db2.gz DRIUEALYBJONGZ-MMTNMYCKSA-N 0 2 442.515 5.300 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1C(C)C ZINC000408900507 556487647 /nfs/dbraw/zinc/48/76/47/556487647.db2.gz TYZGDPZQYDFCGS-HZHRSRAPSA-N 0 2 441.531 5.192 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(C)C ZINC000408902883 556490287 /nfs/dbraw/zinc/49/02/87/556490287.db2.gz MXAVCXWJIIJQIE-HYARGMPZSA-N 0 2 445.494 5.023 40 10 IKCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000083297173 556663097 /nfs/dbraw/zinc/66/30/97/556663097.db2.gz GZIPMIGOIWPLLT-XSFVSMFZSA-N 0 2 432.863 5.426 40 10 IKCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000083297113 556663161 /nfs/dbraw/zinc/66/31/61/556663161.db2.gz SYOUUJFAANWGMW-LFIBNONCSA-N 0 2 427.243 5.760 40 10 IKCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000408985545 556687188 /nfs/dbraw/zinc/68/71/88/556687188.db2.gz KZLGQTAZYVNFTO-MTJSOVHGSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000409001912 556711246 /nfs/dbraw/zinc/71/12/46/556711246.db2.gz XVBIYBPTPNMPFD-SRZZPIQSSA-N 0 2 446.572 5.191 40 10 IKCBLN O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409013651 556716807 /nfs/dbraw/zinc/71/68/07/556716807.db2.gz CHTDMFWZIDLMBO-XNTDXEJSSA-N 0 2 445.233 5.059 40 10 IKCBLN Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408875091 556874523 /nfs/dbraw/zinc/87/45/23/556874523.db2.gz CVNSRQZHCKHLFI-RCCKNPSSSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(Cc3ccccc3F)cc2)C1=O ZINC000408870038 556874755 /nfs/dbraw/zinc/87/47/55/556874755.db2.gz UNOCQBVJQAITIQ-XMHGGMMESA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(Cc3ccccc3F)cc2)C1=O ZINC000408870948 556874948 /nfs/dbraw/zinc/87/49/48/556874948.db2.gz WDTYNINKKJZOFN-DEDYPNTBSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)c(C)c1 ZINC000408871024 556874987 /nfs/dbraw/zinc/87/49/87/556874987.db2.gz XGVUGBICEOXQLW-RCCKNPSSSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3c4ccccc4cc4ccccc34)C2=O)cc1Cl ZINC000408986993 556909845 /nfs/dbraw/zinc/90/98/45/556909845.db2.gz NYWNGNYXFCHMJW-HMAPJEAMSA-N 0 2 440.886 5.621 40 10 IKCBLN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(S)c2ccccc12 ZINC000409042336 556929482 /nfs/dbraw/zinc/92/94/82/556929482.db2.gz KGFKMMUACZMHLW-MDWZMJQESA-N 0 2 434.389 5.630 40 10 IKCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1C(C)C ZINC000409104007 556952621 /nfs/dbraw/zinc/95/26/21/556952621.db2.gz YBHZEAGUBQPJTD-XNTDXEJSSA-N 0 2 447.318 5.100 40 10 IKCBLN CC(C)n1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000409109203 556956900 /nfs/dbraw/zinc/95/69/00/556956900.db2.gz ZMESPYGJCNUBGL-XNTDXEJSSA-N 0 2 442.302 5.195 40 10 IKCBLN CCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408527122 557030310 /nfs/dbraw/zinc/03/03/10/557030310.db2.gz ATAPTQLGLZVUSH-GZTJUZNOSA-N 0 2 447.318 5.147 40 10 IKCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2)cc1 ZINC000409241550 557031583 /nfs/dbraw/zinc/03/15/83/557031583.db2.gz YGWMVXZVJLOLQS-HZHRSRAPSA-N 0 2 442.540 5.429 40 10 IKCBLN CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000408538731 557033081 /nfs/dbraw/zinc/03/30/81/557033081.db2.gz PWQHUKHTFHJWAB-XMHGGMMESA-N 0 2 444.890 5.105 40 10 IKCBLN CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408539578 557033909 /nfs/dbraw/zinc/03/39/09/557033909.db2.gz XRSYQSAEQZQXEE-XSFVSMFZSA-N 0 2 440.927 5.274 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(Sc3ccccc3)o2)C1=O ZINC000409231716 557058562 /nfs/dbraw/zinc/05/85/62/557058562.db2.gz LQMFVGWNLBIVLV-FOWTUZBSSA-N 0 2 438.892 5.059 40 10 IKCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408600548 557064532 /nfs/dbraw/zinc/06/45/32/557064532.db2.gz CWNAKLQGBNRYHY-XNTDXEJSSA-N 0 2 445.233 5.059 40 10 IKCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408601486 557068588 /nfs/dbraw/zinc/06/85/88/557068588.db2.gz KFWSSFBDGNPXTR-GDNBJRDFSA-N 0 2 445.233 5.059 40 10 IKCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000409235530 557076888 /nfs/dbraw/zinc/07/68/88/557076888.db2.gz CAGFJVVZQMWOHG-FYJGNVAPSA-N 0 2 448.931 5.466 40 10 IKCBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409238161 557079245 /nfs/dbraw/zinc/07/92/45/557079245.db2.gz WADWZFRAYGQEKC-JXCQQFQQSA-N 0 2 447.318 5.146 40 10 IKCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c1 ZINC000208230439 557079797 /nfs/dbraw/zinc/07/97/97/557079797.db2.gz NTKPWPZOCPPJEF-ZFJBLLOBSA-N 0 2 445.563 5.000 40 10 IKCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 ZINC000409247443 557080306 /nfs/dbraw/zinc/08/03/06/557080306.db2.gz HHWRNMRJAMSOEW-PXLXIMEGSA-N 0 2 428.513 5.121 40 10 IKCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C2=O)cc1 ZINC000208305775 557080520 /nfs/dbraw/zinc/08/05/20/557080520.db2.gz HJHFRUGTUQLLQB-HINJULBWSA-N 0 2 445.563 5.028 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408768707 557193668 /nfs/dbraw/zinc/19/36/68/557193668.db2.gz IINHIWCDCVMFRF-PCLIKHOPSA-N 0 2 449.510 5.222 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408776726 557201134 /nfs/dbraw/zinc/20/11/34/557201134.db2.gz QBDQAJBDPFXZSR-HKOYGPOVSA-N 0 2 447.494 5.119 40 10 IKCBLN CCCc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1Sc1ccccc1 ZINC000112290182 557238978 /nfs/dbraw/zinc/23/89/78/557238978.db2.gz HEUPTMJUTWNVJE-PLRJNAJWSA-N 0 2 427.573 6.727 40 10 IKCBLN CC(=Nc1cc(Cl)ccc1Oc1ccccc1)C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000112293553 557239231 /nfs/dbraw/zinc/23/92/31/557239231.db2.gz ZLPHCADOOXBMCG-HAHDFKILSA-N 0 2 435.886 6.380 40 10 IKCBLN CC(=Nc1cc(Cl)ccc1Oc1ccccc1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000112293553 557239233 /nfs/dbraw/zinc/23/92/33/557239233.db2.gz ZLPHCADOOXBMCG-HAHDFKILSA-N 0 2 435.886 6.380 40 10 IKCBLN CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccccc1Sc1ccccc1 ZINC000112296328 557239727 /nfs/dbraw/zinc/23/97/27/557239727.db2.gz FAQARHUXCOIODJ-BWAHOGKJSA-N 0 2 445.563 6.866 40 10 IKCBLN CSc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000223441288 557472579 /nfs/dbraw/zinc/47/25/79/557472579.db2.gz VGTIUMMBPALHMX-UHFFFAOYSA-N 0 2 431.391 5.640 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)c1 ZINC000223483523 557477462 /nfs/dbraw/zinc/47/74/62/557477462.db2.gz ULVWYBJERGICLP-HYARGMPZSA-N 0 2 443.547 5.072 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223483442 557477497 /nfs/dbraw/zinc/47/74/97/557477497.db2.gz MUXYBSRZVJQLMT-HYARGMPZSA-N 0 2 443.547 5.072 40 10 IKCBLN Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223601026 557490537 /nfs/dbraw/zinc/49/05/37/557490537.db2.gz DGVHJIVOVHYWND-OVBDPADQSA-N 0 2 445.563 5.162 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000033331097 557807448 /nfs/dbraw/zinc/80/74/48/557807448.db2.gz ZWQIVBBFJVJUOZ-CIAFOILYSA-N 0 2 447.922 5.871 40 10 IKCBLN Cc1ccc(COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 ZINC000059135108 557815070 /nfs/dbraw/zinc/81/50/70/557815070.db2.gz WTDDFVHEIMGBTL-HYARGMPZSA-N 0 2 430.435 5.220 40 10 IKCBLN CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 ZINC000059135348 557815351 /nfs/dbraw/zinc/81/53/51/557815351.db2.gz KLXZVWSEUJRWRO-HYARGMPZSA-N 0 2 447.466 5.139 40 10 IKCBLN Cc1cccc(COc2ccccc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000059135645 557815537 /nfs/dbraw/zinc/81/55/37/557815537.db2.gz AALOYXQHSSAESY-KGENOOAVSA-N 0 2 430.435 5.220 40 10 IKCBLN Cc1ccc(COc2ccccc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000059135643 557815584 /nfs/dbraw/zinc/81/55/84/557815584.db2.gz CKLQLTXVBLXWMV-KGENOOAVSA-N 0 2 430.435 5.220 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059137396 557816032 /nfs/dbraw/zinc/81/60/32/557816032.db2.gz LUZGGHQUGIFTFM-WSDLNYQXSA-N 0 2 431.467 5.357 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137204 557816084 /nfs/dbraw/zinc/81/60/84/557816084.db2.gz PLCKICBGKYVHPM-FYJGNVAPSA-N 0 2 431.467 5.357 40 10 IKCBLN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000059137937 557816101 /nfs/dbraw/zinc/81/61/01/557816101.db2.gz VWXAIYJOJNOLHM-LDADJPATSA-N 0 2 438.892 5.899 40 10 IKCBLN O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000059138106 557816345 /nfs/dbraw/zinc/81/63/45/557816345.db2.gz NQLZVYQEOFNFGB-SDNWHVSQSA-N 0 2 434.279 5.083 40 10 IKCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000059862198 557827831 /nfs/dbraw/zinc/82/78/31/557827831.db2.gz FAHZKBXNJOQPOS-FYJGNVAPSA-N 0 2 432.863 5.426 40 10 IKCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OC(C)C)C1=O ZINC000059860493 557827854 /nfs/dbraw/zinc/82/78/54/557827854.db2.gz UHKFNGKBAJBJJF-LFIBNONCSA-N 0 2 443.297 5.051 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 ZINC000002209590 569194051 /nfs/dbraw/zinc/19/40/51/569194051.db2.gz BQVAAFIAQUBTKY-BUVRLJJBSA-N 0 2 449.510 5.813 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1C ZINC000260562447 569281195 /nfs/dbraw/zinc/28/11/95/569281195.db2.gz AAWBSGAVXRVQGX-MNOULKQQSA-N 0 2 445.563 5.000 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000009056616 132226450 /nfs/dbraw/zinc/22/64/50/132226450.db2.gz IXDJAXFKQQGXGS-XQNSMLJCSA-N 0 2 447.579 5.574 40 10 IKCBLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408586617 555939196 /nfs/dbraw/zinc/93/91/96/555939196.db2.gz PGZNNFZVSGQFMS-UHFFFAOYSA-N 0 2 436.316 5.034 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1C ZINC000408857005 556447031 /nfs/dbraw/zinc/44/70/31/556447031.db2.gz MMNLJQHRFUFVJD-UDWIEESQSA-N 0 2 434.879 5.192 40 10 IKCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Cc3ccccc3Cl)cc2)C1=O ZINC000408867695 556459407 /nfs/dbraw/zinc/45/94/07/556459407.db2.gz MGHANSYRHJBAEW-PGMHBOJBSA-N 0 2 444.918 5.160 40 10 IKCBLN Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000408875298 556464167 /nfs/dbraw/zinc/46/41/67/556464167.db2.gz IYWBKZRIGIPWEJ-HYARGMPZSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2Cc2ccccc2F)C1=O ZINC000408882137 556471959 /nfs/dbraw/zinc/47/19/59/556471959.db2.gz LIVYYAPNKJNPQI-XSFVSMFZSA-N 0 2 448.881 5.045 40 10 IKCBLN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408897898 556485154 /nfs/dbraw/zinc/48/51/54/556485154.db2.gz JNTFGVLQQTZZKW-HBBMIWKISA-N 0 2 448.906 5.337 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000033758900 556567821 /nfs/dbraw/zinc/56/78/21/556567821.db2.gz QMSZGOKXNWRTFE-LDADJPATSA-N 0 2 438.892 5.899 40 10 IKCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1 ZINC000408982925 556664090 /nfs/dbraw/zinc/66/40/90/556664090.db2.gz IWWNLJUVJXPULM-UYRXBGFRSA-N 0 2 448.563 5.216 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1C1CCCC1 ZINC000408768553 556846885 /nfs/dbraw/zinc/84/68/85/556846885.db2.gz HATGNRZKUIZBAZ-LICLKQGHSA-N 0 2 446.334 5.193 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408783293 556855257 /nfs/dbraw/zinc/85/52/57/556855257.db2.gz NVSVJOBCIGAOEV-CIAFOILYSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408786640 556856383 /nfs/dbraw/zinc/85/63/83/556856383.db2.gz LMNAWBCFVGCJNE-DEDYPNTBSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)cc1 ZINC000408865346 556873405 /nfs/dbraw/zinc/87/34/05/556873405.db2.gz DBTNBHTTWVFQHB-FYJGNVAPSA-N 0 2 448.881 5.045 40 10 IKCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1 ZINC000408871972 556875191 /nfs/dbraw/zinc/87/51/91/556875191.db2.gz IPFQDGCCOIULCW-KOEQRZSOSA-N 0 2 438.527 5.123 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3F)C2=O)c1 ZINC000408872766 556875309 /nfs/dbraw/zinc/87/53/09/556875309.db2.gz IKXXGADAHIFDOM-KGENOOAVSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000408877768 556877242 /nfs/dbraw/zinc/87/72/42/556877242.db2.gz UJCUCQZUUIVGQJ-HZHRSRAPSA-N 0 2 444.918 5.214 40 10 IKCBLN COc1cc(N2N=C(C)C(C=Nc3c(Cl)cc(Cl)cc3Cl)C2=O)ccc1Cl ZINC000408530649 557031574 /nfs/dbraw/zinc/03/15/74/557031574.db2.gz JKUPKJIHIZDUMB-WQLSENKSSA-N 0 2 445.133 6.027 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(C)c1 ZINC000409228391 557054822 /nfs/dbraw/zinc/05/48/22/557054822.db2.gz YHENKKOORWEWCO-DEDYPNTBSA-N 0 2 447.922 5.031 40 10 IKCBLN CSc1cccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)c1 ZINC000409341391 557069105 /nfs/dbraw/zinc/06/91/05/557069105.db2.gz BIQDGCZPCDZXID-AUWJEWJLSA-N 0 2 428.387 5.827 40 10 IKCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O ZINC000208305525 557080050 /nfs/dbraw/zinc/08/00/50/557080050.db2.gz YCXWMISKLUHFBN-WNSCPLKPSA-N 0 2 445.563 5.028 40 10 IKCBLN CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1C(C)C ZINC000409252518 557080968 /nfs/dbraw/zinc/08/09/68/557080968.db2.gz SJHFCSZKFCOCMR-LDADJPATSA-N 0 2 440.927 5.145 40 10 IKCBLN COc1cc(N=C(C)c2c(C)[nH]n(-c3nc4ccccc4s3)c2=O)c(OC)cc1Cl ZINC000103917369 557140619 /nfs/dbraw/zinc/14/06/19/557140619.db2.gz FPAZZPWKWOZLEK-ODLFYWEKSA-N 0 2 442.928 5.076 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1 ZINC000408739743 557148633 /nfs/dbraw/zinc/14/86/33/557148633.db2.gz FDZGBWFFASLKRI-BOPFTXTBSA-N 0 2 441.270 5.228 40 10 IKCBLN O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1cccc2ccccc12 ZINC000408783365 557206913 /nfs/dbraw/zinc/20/69/13/557206913.db2.gz KQCUWFSWXYVYQS-MHWRWJLKSA-N 0 2 444.796 5.178 40 10 IKCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000408807339 557218759 /nfs/dbraw/zinc/21/87/59/557218759.db2.gz HFQOSTBWXNUYMK-JJIBRWJFSA-N 0 2 448.478 5.085 40 10 IKCBLN CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccccc1OC(F)(F)F ZINC000112293094 557239285 /nfs/dbraw/zinc/23/92/85/557239285.db2.gz WHFBDHOVRTZDQE-ZHZULCJRSA-N 0 2 433.430 5.483 40 10 IKCBLN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1C(C)=Nc1ccccc1OC(F)(F)F ZINC000112293094 557239288 /nfs/dbraw/zinc/23/92/88/557239288.db2.gz WHFBDHOVRTZDQE-ZHZULCJRSA-N 0 2 433.430 5.483 40 10 IKCBLN CC(Nc1cc([N+](=O)[O-])ccc1C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017096821 557477699 /nfs/dbraw/zinc/47/76/99/557477699.db2.gz KPJJUTZMTORSLF-JWGURIENSA-N 0 2 430.439 5.179 40 10 IKCBLN CC(=Nc1cc([N+](=O)[O-])ccc1C)c1c(=O)n(-c2ccc(F)cc2)[nH]c1-c1ccccc1 ZINC000017096821 557477700 /nfs/dbraw/zinc/47/77/00/557477700.db2.gz KPJJUTZMTORSLF-JWGURIENSA-N 0 2 430.439 5.179 40 10 IKCBLN CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223578616 557488154 /nfs/dbraw/zinc/48/81/54/557488154.db2.gz DJQCCOBADJINPY-OVBDPADQSA-N 0 2 445.563 5.082 40 10 IKCBLN COc1ccc(N2N=C(c3ccccc3)C(=C(C)Nc3cc([N+](=O)[O-])ccc3C)C2=O)cc1 ZINC000019635866 557502810 /nfs/dbraw/zinc/50/28/10/557502810.db2.gz CCGOVRVURWZHDF-QJOMJCCJSA-N 0 2 442.475 5.049 40 10 IKCBLN COc1ccc(-n2[nH]c(-c3ccccc3)c(C(C)=Nc3cc([N+](=O)[O-])ccc3C)c2=O)cc1 ZINC000019635866 557502812 /nfs/dbraw/zinc/50/28/12/557502812.db2.gz CCGOVRVURWZHDF-QJOMJCCJSA-N 0 2 442.475 5.049 40 10 IKCBLN CCOc1ccccc1NC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000019635873 557502826 /nfs/dbraw/zinc/50/28/26/557502826.db2.gz CRMLWHUWQPFSLR-QJOMJCCJSA-N 0 2 442.475 5.131 40 10 IKCBLN CCOc1ccccc1N=C(C)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccccc1 ZINC000019635873 557502829 /nfs/dbraw/zinc/50/28/29/557502829.db2.gz CRMLWHUWQPFSLR-QJOMJCCJSA-N 0 2 442.475 5.131 40 10 IKCBLN CCOC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1 ZINC000019637966 557503213 /nfs/dbraw/zinc/50/32/13/557503213.db2.gz CDKUMWSPYTUHBM-QJOMJCCJSA-N 0 2 443.478 5.139 40 10 IKCBLN CCOC(=O)c1ccc(N=C(C)c2c(=O)n(-c3ccc(F)cc3)[nH]c2-c2ccccc2)cc1 ZINC000019637966 557503216 /nfs/dbraw/zinc/50/32/16/557503216.db2.gz CDKUMWSPYTUHBM-QJOMJCCJSA-N 0 2 443.478 5.139 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033365115 557807536 /nfs/dbraw/zinc/80/75/36/557807536.db2.gz CTYGDGZWDAQAKK-RGVLZGJSSA-N 0 2 437.858 5.393 40 10 IKCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000059135046 557815022 /nfs/dbraw/zinc/81/50/22/557815022.db2.gz SZCUPYVVBAMSKX-FYJGNVAPSA-N 0 2 434.398 5.051 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1Cl ZINC000059135356 557815290 /nfs/dbraw/zinc/81/52/90/557815290.db2.gz WPBMRASTAMGBEX-LDADJPATSA-N 0 2 437.858 5.393 40 10 IKCBLN Cc1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000059135432 557815354 /nfs/dbraw/zinc/81/53/54/557815354.db2.gz ANJMQEYXFUODMM-WOJGMQOQSA-N 0 2 449.394 5.117 40 10 IKCBLN O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000059138112 557816365 /nfs/dbraw/zinc/81/63/65/557816365.db2.gz LJJCEMXCUAZFBU-SDNWHVSQSA-N 0 2 434.279 5.083 40 10 IKCBLN Cc1nn(Cc2ccccc2)c(C)c1N=CC1C(=O)N(c2ccc(C)c(Cl)c2)N=C1C ZINC000059859033 557827624 /nfs/dbraw/zinc/82/76/24/557827624.db2.gz IRSNWZZZGXSNNY-BKUYFWCQSA-N 0 2 433.943 5.229 40 10 IKCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3)C2=O)cc1 ZINC000059860634 557827939 /nfs/dbraw/zinc/82/79/39/557827939.db2.gz VXJUHCHFKQKWSO-CJLVFECKSA-N 0 2 442.471 5.171 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000096487969 557838134 /nfs/dbraw/zinc/83/81/34/557838134.db2.gz OJZGPYBYDJHDTO-FYJGNVAPSA-N 0 2 447.922 5.871 40 10 IKCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1Cc1cccc2ccccc21 ZINC000002259989 569215604 /nfs/dbraw/zinc/21/56/04/569215604.db2.gz QXHAMRPETIELEC-HAHDFKILSA-N 0 2 439.446 5.335 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002234137 132249594 /nfs/dbraw/zinc/24/95/94/132249594.db2.gz UJEGQGRVFWWBFA-LPYMAVHISA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000009265419 132311961 /nfs/dbraw/zinc/31/19/61/132311961.db2.gz YEVRLOXBKWDPNR-HAHDFKILSA-N 0 2 441.531 5.192 40 10 IKCBLN Cc1cccc(Cn2cccc2C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000034828198 524494624 /nfs/dbraw/zinc/49/46/24/524494624.db2.gz ROARASISQAGPPM-NDENLUEZSA-N 0 2 433.895 5.313 40 10 IKCBLN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408530517 555727261 /nfs/dbraw/zinc/72/72/61/555727261.db2.gz JAZUXDJDUSLTSB-ZROIWOOFSA-N 0 2 439.140 5.783 40 10 IKCBLN Cc1cc(/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408631734 556003267 /nfs/dbraw/zinc/00/32/67/556003267.db2.gz BILMMGTUESKPPU-HYARGMPZSA-N 0 2 433.533 5.519 40 10 IKCBLN Cc1cc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408631977 556003628 /nfs/dbraw/zinc/00/36/28/556003628.db2.gz BYHVDWLVKZYHKB-HYARGMPZSA-N 0 2 432.549 5.254 40 10 IKCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2Cc2ccccc2Cl)C1=O ZINC000408865546 556458083 /nfs/dbraw/zinc/45/80/83/556458083.db2.gz CWSFJYFUWJTTKF-PGMHBOJBSA-N 0 2 444.918 5.160 40 10 IKCBLN Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)c1 ZINC000408866743 556459874 /nfs/dbraw/zinc/45/98/74/556459874.db2.gz IMHFJXKQKHFUNI-RCCKNPSSSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(Cc3cccc(F)c3)cc2)C1=O ZINC000408876589 556465942 /nfs/dbraw/zinc/46/59/42/556465942.db2.gz MOKFOVPYKOKANB-FYJGNVAPSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)c1 ZINC000408877775 556467475 /nfs/dbraw/zinc/46/74/75/556467475.db2.gz WYDWRVHQJOXJNY-UDWIEESQSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)c1C ZINC000408880307 556470228 /nfs/dbraw/zinc/47/02/28/556470228.db2.gz HFMMSDRLGTYFNO-RCCKNPSSSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1C ZINC000408884236 556473632 /nfs/dbraw/zinc/47/36/32/556473632.db2.gz XJRLPIRLTTWNBG-PXLXIMEGSA-N 0 2 444.918 5.214 40 10 IKCBLN CCCOc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000032101738 556529714 /nfs/dbraw/zinc/52/97/14/556529714.db2.gz TYGVHYCUCBOMAL-ZHZULCJRSA-N 0 2 445.431 5.044 40 10 IKCBLN Cc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1 ZINC000408956771 556557335 /nfs/dbraw/zinc/55/73/35/556557335.db2.gz YJPAXWZSNAFKLF-ZMOGYAJESA-N 0 2 440.543 5.129 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)c1 ZINC000409086508 556790780 /nfs/dbraw/zinc/79/07/80/556790780.db2.gz DZPKSACXKXYAJG-KGENOOAVSA-N 0 2 448.931 5.466 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000408769586 556847137 /nfs/dbraw/zinc/84/71/37/556847137.db2.gz WFZZYGYLYSVJQA-FYJGNVAPSA-N 0 2 447.922 5.031 40 10 IKCBLN CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408800907 556858366 /nfs/dbraw/zinc/85/83/66/556858366.db2.gz RWVBHSOXOZEUJZ-XSFVSMFZSA-N 0 2 448.906 5.257 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)c1 ZINC000408879863 556876078 /nfs/dbraw/zinc/87/60/78/556876078.db2.gz HMOUTUQVWTXXEM-HYARGMPZSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2)cc1 ZINC000409223873 557017976 /nfs/dbraw/zinc/01/79/76/557017976.db2.gz GHBLVEOPOCRNKF-PXLXIMEGSA-N 0 2 442.540 5.429 40 10 IKCBLN Cc1[nH]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408527953 557030896 /nfs/dbraw/zinc/03/08/96/557030896.db2.gz GVVZCDJNBZZKSU-ATVHPVEESA-N 0 2 440.728 5.974 40 10 IKCBLN Cc1nn(Cc2ccccc2Cl)c(C)c1N=CC1C(=O)N(c2cccc(C)c2)N=C1C ZINC000408532425 557031599 /nfs/dbraw/zinc/03/15/99/557031599.db2.gz MPQGOAZQLNYXPF-BKUYFWCQSA-N 0 2 433.943 5.229 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)c(C)c1 ZINC000408535702 557032591 /nfs/dbraw/zinc/03/25/91/557032591.db2.gz ZTRGFRXLDNXGPX-OZQQWVCGSA-N 0 2 439.475 5.298 40 10 IKCBLN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000408539146 557033108 /nfs/dbraw/zinc/03/31/08/557033108.db2.gz UEWGZFLOIQCWRG-YBEGLDIGSA-N 0 2 443.301 5.001 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000409236952 557078891 /nfs/dbraw/zinc/07/88/91/557078891.db2.gz HDPXKLNYYZKBOK-LFIBNONCSA-N 0 2 441.270 5.228 40 10 IKCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000409238164 557079091 /nfs/dbraw/zinc/07/90/91/557079091.db2.gz WADWZFRAYGQEKC-XBUHWIKASA-N 0 2 447.318 5.146 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccc1C ZINC000409248827 557080638 /nfs/dbraw/zinc/08/06/38/557080638.db2.gz RHIIFTHMUNIERE-CPNJWEJPSA-N 0 2 447.922 5.031 40 10 IKCBLN CC(Nc1ccccc1Cl)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000103920882 557140964 /nfs/dbraw/zinc/14/09/64/557140964.db2.gz XQPPDLXCRXIHCF-QNGOZBTKSA-N 0 2 432.867 5.385 40 10 IKCBLN CC(=Nc1ccccc1Cl)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccccc1 ZINC000103920882 557140966 /nfs/dbraw/zinc/14/09/66/557140966.db2.gz XQPPDLXCRXIHCF-QNGOZBTKSA-N 0 2 432.867 5.385 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C1CCCC1 ZINC000408766994 557188968 /nfs/dbraw/zinc/18/89/68/557188968.db2.gz HRTKKAWBTUSQDW-LICLKQGHSA-N 0 2 446.334 5.193 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408767005 557188987 /nfs/dbraw/zinc/18/89/87/557188987.db2.gz HSJWSDVQNNEHCR-XQNSMLJCSA-N 0 2 441.531 5.058 40 10 IKCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)c1 ZINC000408774978 557197745 /nfs/dbraw/zinc/19/77/45/557197745.db2.gz DWIASPUOISYDJC-XDHOZWIPSA-N 0 2 448.563 5.270 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000408783384 557206924 /nfs/dbraw/zinc/20/69/24/557206924.db2.gz KVUWISVEVDERFR-FYJGNVAPSA-N 0 2 447.922 5.031 40 10 IKCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1C(C)=Nc1ccccc1OC(F)(F)F ZINC000112294435 557239582 /nfs/dbraw/zinc/23/95/82/557239582.db2.gz NLAQVXRHNOFUSX-UYRXBGFRSA-N 0 2 448.401 5.382 40 10 IKCBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccccc1OC(F)(F)F ZINC000112294435 557239587 /nfs/dbraw/zinc/23/95/87/557239587.db2.gz NLAQVXRHNOFUSX-UYRXBGFRSA-N 0 2 448.401 5.382 40 10 IKCBLN CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc(OC)c(Cl)cc1OC ZINC000112293609 557239654 /nfs/dbraw/zinc/23/96/54/557239654.db2.gz GYGOTOACUXYVQJ-BKUYFWCQSA-N 0 2 431.895 5.385 40 10 IKCBLN CCCC1=NN(c2ccc(F)cc2)C(=O)C1C(C)=Nc1cc(OC)c(Cl)cc1OC ZINC000112293609 557239657 /nfs/dbraw/zinc/23/96/57/557239657.db2.gz GYGOTOACUXYVQJ-BKUYFWCQSA-N 0 2 431.895 5.385 40 10 IKCBLN COc1ccc(N2N=C(C)C(C(C)=Nc3cc(Cl)ccc3Oc3ccccc3)C2=O)cc1 ZINC000112295642 557239668 /nfs/dbraw/zinc/23/96/68/557239668.db2.gz WCRALTXLLBSJLY-JLPGSUDCSA-N 0 2 447.922 6.250 40 10 IKCBLN COc1ccc(-n2[nH]c(C)c(C(C)=Nc3cc(Cl)ccc3Oc3ccccc3)c2=O)cc1 ZINC000112295642 557239671 /nfs/dbraw/zinc/23/96/71/557239671.db2.gz WCRALTXLLBSJLY-JLPGSUDCSA-N 0 2 447.922 6.250 40 10 IKCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000014133207 557421919 /nfs/dbraw/zinc/42/19/19/557421919.db2.gz QQTVAZWKVNNYGR-XSFVSMFZSA-N 0 2 448.931 5.466 40 10 IKCBLN CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl ZINC000223253254 557451368 /nfs/dbraw/zinc/45/13/68/557451368.db2.gz LKDWBSDKZSSLGN-UHFFFAOYSA-N 0 2 429.350 5.316 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000016268399 557471487 /nfs/dbraw/zinc/47/14/87/557471487.db2.gz VQVYPRIGZUHKFF-UDWIEESQSA-N 0 2 437.858 5.393 40 10 IKCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223558653 557486020 /nfs/dbraw/zinc/48/60/20/557486020.db2.gz PCMATBAKCDYIGK-ALDSOSFCSA-N 0 2 445.563 5.162 40 10 IKCBLN Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223601080 557490529 /nfs/dbraw/zinc/49/05/29/557490529.db2.gz DGVHJIVOVHYWND-SDLXJUDFSA-N 0 2 445.563 5.162 40 10 IKCBLN COc1cc(N=C(C)c2c(=O)n(-c3ccccc3)[nH]c2-c2ccccc2)c(OC)cc1Cl ZINC000019646641 557505204 /nfs/dbraw/zinc/50/52/04/557505204.db2.gz CDUKQLOBYHDYFW-KQWNVCNZSA-N 0 2 447.922 5.494 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000059135365 557815308 /nfs/dbraw/zinc/81/53/08/557815308.db2.gz HCSOTRNVXUBIHY-FYJGNVAPSA-N 0 2 431.467 5.357 40 10 IKCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1cccc(F)c1 ZINC000059135640 557815365 /nfs/dbraw/zinc/81/53/65/557815365.db2.gz UMRUNQXXCWYTCO-DEDYPNTBSA-N 0 2 434.398 5.051 40 10 IKCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1 ZINC000059137176 557815937 /nfs/dbraw/zinc/81/59/37/557815937.db2.gz LNDDIMYHPGJGMC-LPYMAVHISA-N 0 2 447.466 5.139 40 10 IKCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000059106192 557820224 /nfs/dbraw/zinc/82/02/24/557820224.db2.gz QBYXOMPHENFHIA-GDNBJRDFSA-N 0 2 445.233 5.899 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c1C ZINC000059862202 557827910 /nfs/dbraw/zinc/82/79/10/557827910.db2.gz NMDGNKQREDVHOI-PXLXIMEGSA-N 0 2 426.472 5.389 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c(C)c1 ZINC000059862188 557827944 /nfs/dbraw/zinc/82/79/44/557827944.db2.gz AVXWIWXHATXWJS-PXLXIMEGSA-N 0 2 426.472 5.389 40 10 IKCBLN CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208328487 569261339 /nfs/dbraw/zinc/26/13/39/569261339.db2.gz SOQRKGVHHITIBZ-ALDSOSFCSA-N 0 2 445.563 5.082 40 10 IKCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c1 ZINC000260568183 569281321 /nfs/dbraw/zinc/28/13/21/569281321.db2.gz NTKPWPZOCPPJEF-MNOULKQQSA-N 0 2 445.563 5.000 40 10 IKCBLN CCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408534745 555753361 /nfs/dbraw/zinc/75/33/61/555753361.db2.gz WLZLUFRIZYZXOI-GZTJUZNOSA-N 0 2 447.318 5.147 40 10 IKCBLN Cc1ccc(Cl)cc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000009259060 556267320 /nfs/dbraw/zinc/26/73/20/556267320.db2.gz UBFJHUJBQABRAO-WQRHYEAKSA-N 0 2 441.270 5.228 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=CC3=CC(=NNc4ccccc4)C=CC3=O)C2=O)cc1C ZINC000408856937 556447012 /nfs/dbraw/zinc/44/70/12/556447012.db2.gz LSGAQJAZAOVMSL-JCVVDVMVSA-N 0 2 440.459 5.091 40 10 IKCBLN Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2)c1 ZINC000408868450 556460568 /nfs/dbraw/zinc/46/05/68/556460568.db2.gz MPUHGLHMLHHWEP-LFVJCYFKSA-N 0 2 438.527 5.177 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccccc2Cc2ccccc2F)C1=O ZINC000408876361 556466050 /nfs/dbraw/zinc/46/60/50/556466050.db2.gz OBADIZGFSOJKPO-XMHGGMMESA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 ZINC000033409281 556563643 /nfs/dbraw/zinc/56/36/43/556563643.db2.gz YJLVYFHWOZHAJA-BOPFTXTBSA-N 0 2 441.270 6.069 40 10 IKCBLN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 ZINC000408985410 556686853 /nfs/dbraw/zinc/68/68/53/556686853.db2.gz LVLOKOKNNJJXHK-XMHGGMMESA-N 0 2 428.444 5.170 40 10 IKCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000408798389 556857628 /nfs/dbraw/zinc/85/76/28/556857628.db2.gz DWLCYIFNHAADQB-JJIBRWJFSA-N 0 2 448.478 5.085 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2c(OC(C)C)ccc3ccccc32)C1=O ZINC000408802412 556859354 /nfs/dbraw/zinc/85/93/54/556859354.db2.gz DVVHFWAFTHANNI-CPNJWEJPSA-N 0 2 448.906 5.255 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)cc1 ZINC000408871675 556875054 /nfs/dbraw/zinc/87/50/54/556875054.db2.gz ZUPBRXRBIAXXPH-HYARGMPZSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)c1 ZINC000408872407 556875288 /nfs/dbraw/zinc/87/52/88/556875288.db2.gz MSFOKZZSCCKGDJ-RCCKNPSSSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)c1C ZINC000408880422 556876274 /nfs/dbraw/zinc/87/62/74/556876274.db2.gz IXWUKFMYFHHFJD-RCCKNPSSSA-N 0 2 444.918 5.214 40 10 IKCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000408940107 556896582 /nfs/dbraw/zinc/89/65/82/556896582.db2.gz UDVLFFXEHUQGDH-UQQQWYQISA-N 0 2 448.478 5.085 40 10 IKCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409008704 556919097 /nfs/dbraw/zinc/91/90/97/556919097.db2.gz ARKWHLNKYPZSFJ-GXDHUFHOSA-N 0 2 445.233 5.059 40 10 IKCBLN Cc1ccc(NC(=O)c2c3c(sc2NS(=O)(=O)c2ccccc2)CCCC3)cc1C ZINC000409122518 556961945 /nfs/dbraw/zinc/96/19/45/556961945.db2.gz ZBQKNGNTJWLTBC-UHFFFAOYSA-N 0 2 440.590 5.297 40 10 IKCBLN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1C=Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408529117 557031363 /nfs/dbraw/zinc/03/13/63/557031363.db2.gz GZCTWPIMXJAVOA-ZROIWOOFSA-N 0 2 449.692 5.038 40 10 IKCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409222228 557044370 /nfs/dbraw/zinc/04/43/70/557044370.db2.gz WFYIHSTWFWJIEF-MOSHPQCFSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1 ZINC000409229577 557055625 /nfs/dbraw/zinc/05/56/25/557055625.db2.gz RJVZCFGWPDMTLB-HZHRSRAPSA-N 0 2 442.540 5.429 40 10 IKCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1 ZINC000409232908 557061583 /nfs/dbraw/zinc/06/15/83/557061583.db2.gz IZNGCSKOVVOHNG-RCCKNPSSSA-N 0 2 428.513 5.121 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1C ZINC000408601881 557068536 /nfs/dbraw/zinc/06/85/36/557068536.db2.gz LXFRBAXQXILRKI-BOPFTXTBSA-N 0 2 438.842 5.022 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c1C ZINC000208236834 557079790 /nfs/dbraw/zinc/07/97/90/557079790.db2.gz XLUOAMHMIONCAQ-RSZPVBOMSA-N 0 2 445.563 5.000 40 10 IKCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)C2=O)cc1 ZINC000208305735 557080037 /nfs/dbraw/zinc/08/00/37/557080037.db2.gz HJHFRUGTUQLLQB-HRKXOBMBSA-N 0 2 445.563 5.028 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000409252355 557081008 /nfs/dbraw/zinc/08/10/08/557081008.db2.gz XKUKECVKWYSWNU-LFIBNONCSA-N 0 2 441.270 5.228 40 10 IKCBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2C(C)=CC1(C)C ZINC000208514145 557093304 /nfs/dbraw/zinc/09/33/04/557093304.db2.gz DUFBQOJTOROMGQ-UDWIEESQSA-N 0 2 449.938 5.028 40 10 IKCBLN CC(=Nc1ccccc1OC(F)(F)F)c1c(=O)n(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000103921370 557141120 /nfs/dbraw/zinc/14/11/20/557141120.db2.gz IFDDKBNHRHZIRA-PGMHBOJBSA-N 0 2 437.421 5.722 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C1CCCC1 ZINC000408777714 557202477 /nfs/dbraw/zinc/20/24/77/557202477.db2.gz GUUYYSUCZYBEBL-LFIBNONCSA-N 0 2 446.334 5.193 40 10 IKCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1F ZINC000059135638 557815391 /nfs/dbraw/zinc/81/53/91/557815391.db2.gz UTTFTBRDIOLRRQ-CPNJWEJPSA-N 0 2 434.398 5.051 40 10 IKCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 ZINC000059137927 557816049 /nfs/dbraw/zinc/81/60/49/557816049.db2.gz CKMMNYSTUZIOEO-XSFVSMFZSA-N 0 2 448.500 5.645 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccccc3)C2=O)c(C)c1 ZINC000059860628 557827873 /nfs/dbraw/zinc/82/78/73/557827873.db2.gz OYPGCULNLPMKCC-RCCKNPSSSA-N 0 2 426.472 5.389 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)c1 ZINC000002231093 569210415 /nfs/dbraw/zinc/21/04/15/569210415.db2.gz KNBVFKYFERGHOR-BUVRLJJBSA-N 0 2 449.510 5.813 40 10 IKCBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208305263 569261223 /nfs/dbraw/zinc/26/12/23/569261223.db2.gz SQLNRXBQOGTECE-SDLXJUDFSA-N 0 2 445.563 5.082 40 10 IKCBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208308284 569261288 /nfs/dbraw/zinc/26/12/88/569261288.db2.gz ONDIUMMIFSNZDD-AQRZYSDFSA-N 0 2 445.563 5.082 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c1C ZINC000260572621 569281317 /nfs/dbraw/zinc/28/13/17/569281317.db2.gz XLUOAMHMIONCAQ-VYVDHXHBSA-N 0 2 445.563 5.000 40 10 IKCBLN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000033333523 525671369 /nfs/dbraw/zinc/67/13/69/525671369.db2.gz ZMNVFZSDSAWDOO-LDADJPATSA-N 0 2 438.892 5.899 40 10 IKCBLN O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Br)cc1 ZINC000013953654 556344535 /nfs/dbraw/zinc/34/45/35/556344535.db2.gz KNBBDHBCLKBVLX-UHFFFAOYSA-N 0 2 429.748 5.027 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(Cc3cccc(F)c3)cc2)C1=O ZINC000408870750 556461814 /nfs/dbraw/zinc/46/18/14/556461814.db2.gz WTAADCPMNBKARL-XSFVSMFZSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)c1 ZINC000408871040 556462141 /nfs/dbraw/zinc/46/21/41/556462141.db2.gz VHHQVXFXWUXXNA-RCCKNPSSSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)c(C)c1 ZINC000408876986 556467842 /nfs/dbraw/zinc/46/78/42/556467842.db2.gz RTCYGDHBKORRKR-LFVJCYFKSA-N 0 2 438.527 5.177 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3cccc(F)c3)C2=O)cc1Cl ZINC000408879345 556470976 /nfs/dbraw/zinc/47/09/76/556470976.db2.gz FJJCEAZFAIPSPL-FYJGNVAPSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2Cc2cccc(F)c2)C1=O ZINC000408882290 556472266 /nfs/dbraw/zinc/47/22/66/556472266.db2.gz MHJPRMUIQKNAMW-KGENOOAVSA-N 0 2 448.881 5.045 40 10 IKCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1 ZINC000408885230 556473748 /nfs/dbraw/zinc/47/37/48/556473748.db2.gz YLYNYQOKBKAWKX-CJLVFECKSA-N 0 2 444.918 5.160 40 10 IKCBLN CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408895290 556480567 /nfs/dbraw/zinc/48/05/67/556480567.db2.gz DRIUEALYBJONGZ-FSTGKYBXSA-N 0 2 442.515 5.300 40 10 IKCBLN CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408897901 556485113 /nfs/dbraw/zinc/48/51/13/556485113.db2.gz JNTFGVLQQTZZKW-HFITWMCCSA-N 0 2 448.906 5.337 40 10 IKCBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408975922 556623762 /nfs/dbraw/zinc/62/37/62/556623762.db2.gz CUKVMRXTGAUPCP-MHWRWJLKSA-N 0 2 433.678 5.368 40 10 IKCBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000408981055 556654457 /nfs/dbraw/zinc/65/44/57/556654457.db2.gz YNZGEGRAAGPKON-GZTJUZNOSA-N 0 2 432.785 5.080 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)c1 ZINC000083327749 556663804 /nfs/dbraw/zinc/66/38/04/556663804.db2.gz JEEWUJPJLYUDEA-KGENOOAVSA-N 0 2 446.890 5.734 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Oc4ccccc4)c3)C2=O)cc1Cl ZINC000408987546 556691444 /nfs/dbraw/zinc/69/14/44/556691444.db2.gz PAMDQUKIBJYCGI-MOSHPQCFSA-N 0 2 432.863 5.107 40 10 IKCBLN CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000409039771 556750444 /nfs/dbraw/zinc/75/04/44/556750444.db2.gz DKUWSBMRKKHGTF-LICLKQGHSA-N 0 2 447.318 5.065 40 10 IKCBLN CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408797998 556857424 /nfs/dbraw/zinc/85/74/24/556857424.db2.gz HORKWAAGNNPXDN-XMHGGMMESA-N 0 2 448.906 5.257 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cccc(F)c4)cc3)C2=O)cc1Cl ZINC000408865459 556873359 /nfs/dbraw/zinc/87/33/59/556873359.db2.gz CNUVFXZVAKSMKJ-FYJGNVAPSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccccc2Cc2ccccc2F)C1=O ZINC000408868693 556874058 /nfs/dbraw/zinc/87/40/58/556874058.db2.gz AUOPHQYRVGZJEJ-DEDYPNTBSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccccc2Cc2cccc(F)c2)C1=O ZINC000408876290 556876593 /nfs/dbraw/zinc/87/65/93/556876593.db2.gz OJWZTGFKCKULDN-FYJGNVAPSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)c(C)c1 ZINC000408877412 556877150 /nfs/dbraw/zinc/87/71/50/556877150.db2.gz RLVJMHAKRUYRBF-RCCKNPSSSA-N 0 2 444.918 5.214 40 10 IKCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Cc3cc(C)cc(C)c3)cc2)C1=O ZINC000408878833 556877519 /nfs/dbraw/zinc/87/75/19/556877519.db2.gz CEZKFROYNWQRIP-ULJHMMPZSA-N 0 2 438.527 5.123 40 10 IKCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Cc3cccc(F)c3)c(Cl)c2)C1=O ZINC000408881193 556878220 /nfs/dbraw/zinc/87/82/20/556878220.db2.gz IKBNGQNBAAHDPU-DEDYPNTBSA-N 0 2 448.881 5.045 40 10 IKCBLN CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)ccc21 ZINC000408899388 556882131 /nfs/dbraw/zinc/88/21/31/556882131.db2.gz OXGBLKXYEZNUNP-PXLXIMEGSA-N 0 2 437.499 5.098 40 10 IKCBLN CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 ZINC000408901527 556882837 /nfs/dbraw/zinc/88/28/37/556882837.db2.gz YNWNMSQWKDBYTD-XSFVSMFZSA-N 0 2 443.890 5.134 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1C ZINC000408985007 556908957 /nfs/dbraw/zinc/90/89/57/556908957.db2.gz KFCPXMNEGAHIFC-XDHOZWIPSA-N 0 2 448.563 5.270 40 10 IKCBLN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 ZINC000409041352 556929293 /nfs/dbraw/zinc/92/92/93/556929293.db2.gz ZXUVQTXFNLWPKQ-FARCUNLSSA-N 0 2 437.151 5.201 40 10 IKCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000409231169 557023009 /nfs/dbraw/zinc/02/30/09/557023009.db2.gz IKASHALEQCHRQH-XQNSMLJCSA-N 0 2 442.540 5.375 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1C ZINC000208231636 557079877 /nfs/dbraw/zinc/07/98/77/557079877.db2.gz AAWBSGAVXRVQGX-ZFJBLLOBSA-N 0 2 445.563 5.000 40 10 IKCBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C ZINC000208503362 557093336 /nfs/dbraw/zinc/09/33/36/557093336.db2.gz CARNARDCIJHXPC-DEDYPNTBSA-N 0 2 449.938 5.028 40 10 IKCBLN O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000409339005 557116266 /nfs/dbraw/zinc/11/62/66/557116266.db2.gz DBFSEDNXHIQEBB-NSIKDUERSA-N 0 2 427.290 5.013 40 10 IKCBLN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cl)cc1Cl ZINC000103918774 557140335 /nfs/dbraw/zinc/14/03/35/557140335.db2.gz MHVIRAJIIYENNM-UNOMPAQXSA-N 0 2 445.375 6.492 40 10 IKCBLN CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1Cl ZINC000103918774 557140340 /nfs/dbraw/zinc/14/03/40/557140340.db2.gz MHVIRAJIIYENNM-UNOMPAQXSA-N 0 2 445.375 6.492 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408763269 557183142 /nfs/dbraw/zinc/18/31/42/557183142.db2.gz MLMQMGMCNMXMGG-WSDLNYQXSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408772822 557198560 /nfs/dbraw/zinc/19/85/60/557198560.db2.gz RQXWEFJPNSUICA-FYJGNVAPSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000408783379 557207019 /nfs/dbraw/zinc/20/70/19/557207019.db2.gz KVAXFFKGWQXHNL-LFVJCYFKSA-N 0 2 449.510 5.222 40 10 IKCBLN COc1ccc(-n2[nH]c(C)c(C(C)=Nc3ccccc3Sc3ccccc3)c2=O)cc1 ZINC000112289258 557238466 /nfs/dbraw/zinc/23/84/66/557238466.db2.gz LUDRYIHTUYANPH-ULJHMMPZSA-N 0 2 429.545 5.955 40 10 IKCBLN CC1=NN(c2cccc(Cl)c2)C(=O)C1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100929779 557278959 /nfs/dbraw/zinc/27/89/59/557278959.db2.gz FPBBHWKFGLKXMA-JYRVWZFOSA-N 0 2 425.659 5.274 40 10 IKCBLN Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O ZINC000223488413 557478335 /nfs/dbraw/zinc/47/83/35/557478335.db2.gz FUPZGSRVJVXSSK-KGENOOAVSA-N 0 2 443.547 5.072 40 10 IKCBLN Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223509668 557480650 /nfs/dbraw/zinc/48/06/50/557480650.db2.gz XXXKWXGGROQKKI-HYARGMPZSA-N 0 2 443.547 5.072 40 10 IKCBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223533195 557482853 /nfs/dbraw/zinc/48/28/53/557482853.db2.gz YLEJFEVQMHULSS-OVBDPADQSA-N 0 2 445.563 5.082 40 10 IKCBLN CCOC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000017094431 557484471 /nfs/dbraw/zinc/48/44/71/557484471.db2.gz GRBMCMPSNNMWHV-NKFKGCMQSA-N 0 2 425.488 5.000 40 10 IKCBLN CCOC(=O)c1ccc(N=C(C)c2c(=O)n(-c3ccccc3)[nH]c2-c2ccccc2)cc1 ZINC000017094431 557484474 /nfs/dbraw/zinc/48/44/74/557484474.db2.gz GRBMCMPSNNMWHV-NKFKGCMQSA-N 0 2 425.488 5.000 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)c1 ZINC000223552146 557485017 /nfs/dbraw/zinc/48/50/17/557485017.db2.gz QLOIOLNGZNWLDE-OVBDPADQSA-N 0 2 445.563 5.162 40 10 IKCBLN CCOc1ccccc1NC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 ZINC000017095421 557486360 /nfs/dbraw/zinc/48/63/60/557486360.db2.gz VYXDDTGJPIAUHM-MOHJPFBDSA-N 0 2 427.504 5.231 40 10 IKCBLN CCOc1ccccc1N=C(C)c1c(=O)n(-c2ccc(OC)cc2)[nH]c1-c1ccccc1 ZINC000017095421 557486362 /nfs/dbraw/zinc/48/63/62/557486362.db2.gz VYXDDTGJPIAUHM-MOHJPFBDSA-N 0 2 427.504 5.231 40 10 IKCBLN CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223582287 557488599 /nfs/dbraw/zinc/48/85/99/557488599.db2.gz SOQRKGVHHITIBZ-SXZORUHJSA-N 0 2 445.563 5.082 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000059135058 557814991 /nfs/dbraw/zinc/81/49/91/557814991.db2.gz UIONUXWXMBRHAF-OEAKJJBVSA-N 0 2 445.494 5.863 40 10 IKCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 ZINC000059135052 557815035 /nfs/dbraw/zinc/81/50/35/557815035.db2.gz KJRLUHGLKACGAB-DEDYPNTBSA-N 0 2 434.398 5.051 40 10 IKCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000059134988 557815092 /nfs/dbraw/zinc/81/50/92/557815092.db2.gz AONZLDNVYTYTSN-FYJGNVAPSA-N 0 2 434.398 5.051 40 10 IKCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000059138107 557816291 /nfs/dbraw/zinc/81/62/91/557816291.db2.gz FEMRZTSNMBRXAF-ACCUITESSA-N 0 2 434.279 5.083 40 10 IKCBLN CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 ZINC000002218257 569204265 /nfs/dbraw/zinc/20/42/65/569204265.db2.gz HMELNVRBDFFHHJ-FLVDCRJSSA-N 0 2 441.531 6.114 40 10 IKCBLN CC1=NN(c2cccc(C)c2)C(=O)C1C=Nc1c(C)c(C)c(Br)cc1[N+](=O)[O-] ZINC000408536770 555765927 /nfs/dbraw/zinc/76/59/27/555765927.db2.gz XYUGDADJQIIUOY-YBEGLDIGSA-N 0 2 443.301 5.001 40 10 IKCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3cc(C)cc(C)c3)C2=O)cc1 ZINC000408869871 556461283 /nfs/dbraw/zinc/46/12/83/556461283.db2.gz SFAGUSWKYFEGLV-KOEQRZSOSA-N 0 2 438.527 5.123 40 10 IKCBLN Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)c1 ZINC000408873451 556462982 /nfs/dbraw/zinc/46/29/82/556462982.db2.gz UGSWOKDFWBIPQE-LFVJCYFKSA-N 0 2 438.527 5.177 40 10 IKCBLN CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 ZINC000015012617 556483807 /nfs/dbraw/zinc/48/38/07/556483807.db2.gz WBIBGHFSOVMRPJ-ULJHMMPZSA-N 0 2 441.531 5.103 40 10 IKCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000033319783 556561432 /nfs/dbraw/zinc/56/14/32/556561432.db2.gz GMSQHSMYDPMWBB-STZFKDTASA-N 0 2 442.471 5.089 40 10 IKCBLN CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000409046128 556755531 /nfs/dbraw/zinc/75/55/31/556755531.db2.gz ISUULBGLSNJWDD-CXUHLZMHSA-N 0 2 447.318 5.065 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1Cl ZINC000408778121 556853781 /nfs/dbraw/zinc/85/37/81/556853781.db2.gz BKJXTXUNYBTADX-DEDYPNTBSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C2=O)c1 ZINC000408783116 556855015 /nfs/dbraw/zinc/85/50/15/556855015.db2.gz KDOGXPLDYQKEHI-UDWIEESQSA-N 0 2 434.879 5.192 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000408783120 556855065 /nfs/dbraw/zinc/85/50/65/556855065.db2.gz KGOPDHUERKTBTC-FYJGNVAPSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408781628 556855892 /nfs/dbraw/zinc/85/58/92/556855892.db2.gz DBHGPRARMMDLOH-BUVRLJJBSA-N 0 2 441.531 5.192 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)c1 ZINC000408879851 556876103 /nfs/dbraw/zinc/87/61/03/556876103.db2.gz HHQDFHNISRIHOL-FYJGNVAPSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408876699 556876944 /nfs/dbraw/zinc/87/69/44/556876944.db2.gz QBKAQOKKNOTZMC-LFVJCYFKSA-N 0 2 438.527 5.177 40 10 IKCBLN O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000408877503 556877167 /nfs/dbraw/zinc/87/71/67/556877167.db2.gz RYLJNMNIJKLMIH-KOEQRZSOSA-N 0 2 448.478 5.085 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3Cc3ccccc3F)C2=O)cc1 ZINC000408883462 556877567 /nfs/dbraw/zinc/87/75/67/556877567.db2.gz PUDXKSSDYSMUJJ-KGENOOAVSA-N 0 2 448.881 5.045 40 10 IKCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408912297 556886300 /nfs/dbraw/zinc/88/63/00/556886300.db2.gz QGUNWRVZLRDJBJ-YBEGLDIGSA-N 0 2 445.233 5.059 40 10 IKCBLN Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000408948799 556898637 /nfs/dbraw/zinc/89/86/37/556898637.db2.gz GYARYGRTIMSAHV-ZMOGYAJESA-N 0 2 440.543 5.129 40 10 IKCBLN O=C(Nc1ccc(Cl)cc1)c1c2c(sc1NS(=O)(=O)c1ccccc1)CCCC2 ZINC000409060698 556937600 /nfs/dbraw/zinc/93/76/00/556937600.db2.gz TWAPOQSOJQOIFH-UHFFFAOYSA-N 0 2 446.981 5.333 40 10 IKCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000409228039 557014952 /nfs/dbraw/zinc/01/49/52/557014952.db2.gz STAOSVCAQHQAQL-PXLXIMEGSA-N 0 2 428.513 5.121 40 10 IKCBLN CC1=NN(c2ccc(Br)c(C)c2C)C(=O)C1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000408532164 557032013 /nfs/dbraw/zinc/03/20/13/557032013.db2.gz PVLGNOOOVKPLNT-GDNBJRDFSA-N 0 2 443.301 5.001 40 10 IKCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Sc3ccc(C)cc3)cc2)C1=O ZINC000409245039 557080368 /nfs/dbraw/zinc/08/03/68/557080368.db2.gz MLNYEZSJWWYTPP-CJLVFECKSA-N 0 2 442.540 5.375 40 10 IKCBLN O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc2ccccc21 ZINC000409330000 557112220 /nfs/dbraw/zinc/11/22/20/557112220.db2.gz JMBVOLGJXDYQBG-LICLKQGHSA-N 0 2 432.353 6.258 40 10 IKCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 ZINC000001200588 557120503 /nfs/dbraw/zinc/12/05/03/557120503.db2.gz IWEGADIICZFASP-CPNJWEJPSA-N 0 2 434.473 5.255 40 10 IKCBLN CC(Nc1ccc(Cl)cc1Cl)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000103920901 557140931 /nfs/dbraw/zinc/14/09/31/557140931.db2.gz HYRYPEPSNWWTJG-STZFKDTASA-N 0 2 440.305 6.270 40 10 IKCBLN CC(=Nc1ccc(Cl)cc1Cl)c1c(=O)n(-c2ccc(F)cc2)[nH]c1-c1ccccc1 ZINC000103920901 557140937 /nfs/dbraw/zinc/14/09/37/557140937.db2.gz HYRYPEPSNWWTJG-STZFKDTASA-N 0 2 440.305 6.270 40 10 IKCBLN CCCc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(OC)c(Cl)cc1OC ZINC000112291422 557238928 /nfs/dbraw/zinc/23/89/28/557238928.db2.gz LOPOAYGOYWABPQ-HMAPJEAMSA-N 0 2 443.931 5.255 40 10 IKCBLN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1C(C)=Nc1cc(OC)c(Cl)cc1OC ZINC000112291422 557238934 /nfs/dbraw/zinc/23/89/34/557238934.db2.gz LOPOAYGOYWABPQ-HMAPJEAMSA-N 0 2 443.931 5.255 40 10 IKCBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223537721 557483131 /nfs/dbraw/zinc/48/31/31/557483131.db2.gz ONDIUMMIFSNZDD-JPOGYNCRSA-N 0 2 445.563 5.082 40 10 IKCBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223536807 557483136 /nfs/dbraw/zinc/48/31/36/557483136.db2.gz SQLNRXBQOGTECE-OVBDPADQSA-N 0 2 445.563 5.082 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223552055 557484905 /nfs/dbraw/zinc/48/49/05/557484905.db2.gz WENYSGVWYMKCIC-SDLXJUDFSA-N 0 2 445.563 5.162 40 10 IKCBLN CCOc1ccccc1NC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 ZINC000017095417 557486145 /nfs/dbraw/zinc/48/61/45/557486145.db2.gz NRYKAPVTBPBKFE-MOHJPFBDSA-N 0 2 427.504 5.231 40 10 IKCBLN CCOc1ccccc1N=C(C)c1c(=O)n(-c2ccccc2)[nH]c1-c1ccc(OC)cc1 ZINC000017095417 557486147 /nfs/dbraw/zinc/48/61/47/557486147.db2.gz NRYKAPVTBPBKFE-MOHJPFBDSA-N 0 2 427.504 5.231 40 10 IKCBLN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c(Cl)c1Cl ZINC000223638948 557495249 /nfs/dbraw/zinc/49/52/49/557495249.db2.gz GCGPUOCEFFVNQE-UHFFFAOYSA-N 0 2 436.316 5.034 40 10 IKCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl ZINC000033920551 557810117 /nfs/dbraw/zinc/81/01/17/557810117.db2.gz SGBFOKFFNWJOAV-XMHGGMMESA-N 0 2 432.863 5.426 40 10 IKCBLN CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C ZINC000059135314 557815388 /nfs/dbraw/zinc/81/53/88/557815388.db2.gz WAUHVZGCWYYGKY-KGENOOAVSA-N 0 2 431.467 5.302 40 10 IKCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Sc3ccc(C)cc3)o2)C1=O ZINC000059137945 557816061 /nfs/dbraw/zinc/81/60/61/557816061.db2.gz MEBKUVRNFCRBSX-XMHGGMMESA-N 0 2 432.501 5.808 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059137278 557816123 /nfs/dbraw/zinc/81/61/23/557816123.db2.gz SCJUHHJIZWIPGC-WSDLNYQXSA-N 0 2 431.467 5.357 40 10 IKCBLN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)o2)cc1 ZINC000059137975 557816276 /nfs/dbraw/zinc/81/62/76/557816276.db2.gz QSKCXQRDWWWQDQ-CPNJWEJPSA-N 0 2 432.501 5.227 40 10 IKCBLN Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000059859474 557827666 /nfs/dbraw/zinc/82/76/66/557827666.db2.gz IJAIEGLMDYXBSG-ZMOGYAJESA-N 0 2 440.543 5.970 40 10 IKCBLN CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208313648 569261167 /nfs/dbraw/zinc/26/11/67/569261167.db2.gz YLEJFEVQMHULSS-SDLXJUDFSA-N 0 2 445.563 5.082 40 10 IKCBLN CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208316566 569261282 /nfs/dbraw/zinc/26/12/82/569261282.db2.gz JSJCDJIVGMLMMC-SDLXJUDFSA-N 0 2 445.563 5.082 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001237284 132240739 /nfs/dbraw/zinc/24/07/39/132240739.db2.gz GACJHUPBKZNYDA-LPYMAVHISA-N 0 2 431.467 5.357 40 10 IKCBLN Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1 ZINC000033380047 524773242 /nfs/dbraw/zinc/77/32/42/524773242.db2.gz RREWDCOLVYVIBW-BUVRLJJBSA-N 0 2 449.510 5.813 40 10 IKCBLN CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccccc3CC)C2=O)c1C ZINC000034808290 555509692 /nfs/dbraw/zinc/50/96/92/555509692.db2.gz ZUDCCUWEPMYATG-CJLVFECKSA-N 0 2 441.531 5.726 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1Cl ZINC000408854039 556443032 /nfs/dbraw/zinc/44/30/32/556443032.db2.gz WCAOUVGANMEFPN-DEDYPNTBSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)cc1 ZINC000408869253 556462402 /nfs/dbraw/zinc/46/24/02/556462402.db2.gz QCTBVYLKGJODDC-UDWIEESQSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)c1 ZINC000408874240 556464784 /nfs/dbraw/zinc/46/47/84/556464784.db2.gz ZNGQZENFEJJZJG-LFVJCYFKSA-N 0 2 438.527 5.177 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1 ZINC000083327780 556663731 /nfs/dbraw/zinc/66/37/31/556663731.db2.gz QLLLXKNFCHTBAF-GZTJUZNOSA-N 0 2 441.270 6.069 40 10 IKCBLN CCCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000083331509 556664013 /nfs/dbraw/zinc/66/40/13/556664013.db2.gz CYSBTHQHPBSYCG-VBKFSLOCSA-N 0 2 443.297 5.053 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408760664 556687482 /nfs/dbraw/zinc/68/74/82/556687482.db2.gz CNWYNFCLJSQLTH-WSDLNYQXSA-N 0 2 447.922 5.031 40 10 IKCBLN Cc1ccc(Cn2cc(C=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)cc1 ZINC000034389260 556826635 /nfs/dbraw/zinc/82/66/35/556826635.db2.gz SMYSETRPMONZDZ-BUVRLJJBSA-N 0 2 449.510 5.813 40 10 IKCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408806054 556861032 /nfs/dbraw/zinc/86/10/32/556861032.db2.gz AAXZYZNSPBAUJG-KOEQRZSOSA-N 0 2 448.478 5.085 40 10 IKCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2Cc2cc(C)cc(C)c2)C1=O ZINC000408864914 556873399 /nfs/dbraw/zinc/87/33/99/556873399.db2.gz AZSSDHKSWPHQRF-ULJHMMPZSA-N 0 2 438.527 5.123 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3ccccc3F)C2=O)cc1Cl ZINC000408876762 556876929 /nfs/dbraw/zinc/87/69/29/556876929.db2.gz NLSPIDZKEVBLAC-DEDYPNTBSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(Sc3ccccc3)cc2)C1=O ZINC000409239737 557021011 /nfs/dbraw/zinc/02/10/11/557021011.db2.gz QAGXPKJKUNFTDD-XMHGGMMESA-N 0 2 448.931 5.466 40 10 IKCBLN CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408527180 557030232 /nfs/dbraw/zinc/03/02/32/557030232.db2.gz BDPTZJFKEJNCFY-VBKFSLOCSA-N 0 2 447.318 5.147 40 10 IKCBLN CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000408540004 557033936 /nfs/dbraw/zinc/03/39/36/557033936.db2.gz LQJZUWGIBONKBI-CYVLTUHYSA-N 0 2 440.927 5.274 40 10 IKCBLN O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000409342354 557069917 /nfs/dbraw/zinc/06/99/17/557069917.db2.gz DMXUXPUJQQYTHX-AWNIVKPZSA-N 0 2 427.290 5.013 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1C1CCCCC1 ZINC000409235932 557077231 /nfs/dbraw/zinc/07/72/31/557077231.db2.gz DHKQNXFQFRHYMU-CPNJWEJPSA-N 0 2 439.943 5.238 40 10 IKCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O ZINC000208305566 557080102 /nfs/dbraw/zinc/08/01/02/557080102.db2.gz YCXWMISKLUHFBN-LBSLPOPVSA-N 0 2 445.563 5.028 40 10 IKCBLN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408700507 557119554 /nfs/dbraw/zinc/11/95/54/557119554.db2.gz HAYWRAQTDVAIHB-UHFFFAOYSA-N 0 2 443.952 5.504 40 10 IKCBLN O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000409343377 557122242 /nfs/dbraw/zinc/12/22/42/557122242.db2.gz GNILUMNHGMBZHA-NTUHNPAUSA-N 0 2 427.290 5.013 40 10 IKCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739369 557147360 /nfs/dbraw/zinc/14/73/60/557147360.db2.gz BHDDLSTYWJZBSO-LPYMAVHISA-N 0 2 447.922 5.031 40 10 IKCBLN CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 ZINC000408776711 557200770 /nfs/dbraw/zinc/20/07/70/557200770.db2.gz PWQAJUAICZBAOO-OQLLNIDSSA-N 0 2 436.817 5.149 40 10 IKCBLN CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408803400 557213437 /nfs/dbraw/zinc/21/34/37/557213437.db2.gz OMDKHUITMBPYHH-XSFVSMFZSA-N 0 2 448.906 5.257 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(OC(C)C)ccc4ccccc43)C2=O)cc1Cl ZINC000408812860 557222990 /nfs/dbraw/zinc/22/29/90/557222990.db2.gz XKLKWUNXIRRAON-DEDYPNTBSA-N 0 2 448.906 5.255 40 10 IKCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1C(C)=Nc1ccc(Cl)cc1Cl ZINC000112293062 557239187 /nfs/dbraw/zinc/23/91/87/557239187.db2.gz VNOPYQXPYVZMIO-UNOMPAQXSA-N 0 2 433.295 5.790 40 10 IKCBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(Cl)cc1Cl ZINC000112293062 557239189 /nfs/dbraw/zinc/23/91/89/557239189.db2.gz VNOPYQXPYVZMIO-UNOMPAQXSA-N 0 2 433.295 5.790 40 10 IKCBLN CCCc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000112295820 557239754 /nfs/dbraw/zinc/23/97/54/557239754.db2.gz MRGOHDCOEODHKQ-BWAHOGKJSA-N 0 2 445.950 7.021 40 10 IKCBLN CCCC1=NN(c2ccccc2)C(=O)C1C(C)=Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000112295820 557239756 /nfs/dbraw/zinc/23/97/56/557239756.db2.gz MRGOHDCOEODHKQ-BWAHOGKJSA-N 0 2 445.950 7.021 40 10 IKCBLN CCOc1ccccc1NC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 ZINC000019643394 557504098 /nfs/dbraw/zinc/50/40/98/557504098.db2.gz AMPZMSMSTQJJPQ-ULJHMMPZSA-N 0 2 445.494 5.370 40 10 IKCBLN CCOc1ccccc1N=C(C)c1c(=O)n(-c2ccc(F)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000019643394 557504101 /nfs/dbraw/zinc/50/41/01/557504101.db2.gz AMPZMSMSTQJJPQ-ULJHMMPZSA-N 0 2 445.494 5.370 40 10 IKCBLN Cc1cccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c3ccccc32)c1 ZINC000033729021 557809114 /nfs/dbraw/zinc/80/91/14/557809114.db2.gz BUMBYJCOZZWGBZ-HZHRSRAPSA-N 0 2 435.483 5.505 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000033889715 557810194 /nfs/dbraw/zinc/81/01/94/557810194.db2.gz LBHPDUHMHWCXSD-CIAFOILYSA-N 0 2 433.895 5.563 40 10 IKCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 ZINC000059135642 557815358 /nfs/dbraw/zinc/81/53/58/557815358.db2.gz HHFIZRNYUBBSIE-DEDYPNTBSA-N 0 2 434.398 5.051 40 10 IKCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000059137188 557815819 /nfs/dbraw/zinc/81/58/19/557815819.db2.gz AYCZMCKJHSKCII-KGENOOAVSA-N 0 2 431.467 5.302 40 10 IKCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000059137753 557816039 /nfs/dbraw/zinc/81/60/39/557816039.db2.gz OPVBMBWWNWSGFC-GXDHUFHOSA-N 0 2 445.233 5.899 40 10 IKCBLN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)o2)cc1 ZINC000059137943 557816042 /nfs/dbraw/zinc/81/60/42/557816042.db2.gz ZFJVCYUNUHVQQW-DEDYPNTBSA-N 0 2 432.501 5.863 40 10 IKCBLN CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1 ZINC000059535719 557827440 /nfs/dbraw/zinc/82/74/40/557827440.db2.gz QSXAZTQGJUDOOJ-DHDCSXOGSA-N 0 2 426.346 5.504 40 10 IKCBLN CCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000059860556 557827812 /nfs/dbraw/zinc/82/78/12/557827812.db2.gz DWSYDANWMPLHKT-FOWTUZBSSA-N 0 2 443.297 5.053 40 10 IKCBLN Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)s1 ZINC000059860479 557827924 /nfs/dbraw/zinc/82/79/24/557827924.db2.gz UZKKVSSWTYHUIS-SSDVNMTOSA-N 0 2 446.572 6.031 40 10 IKCBLN O=S(=O)(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1 ZINC000224137810 568906676 /nfs/dbraw/zinc/90/66/76/568906676.db2.gz CCJPVLRIVOTOBT-UHFFFAOYSA-N 0 2 429.748 5.027 40 10 IKCBLN CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 ZINC000002218253 569204153 /nfs/dbraw/zinc/20/41/53/569204153.db2.gz HMELNVRBDFFHHJ-MXJLDLDKSA-N 0 2 441.531 6.114 40 10 IKCBLN CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C ZINC000208316517 569261241 /nfs/dbraw/zinc/26/12/41/569261241.db2.gz DJQCCOBADJINPY-SDLXJUDFSA-N 0 2 445.563 5.082 40 10 IKCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000001201912 132239435 /nfs/dbraw/zinc/23/94/35/132239435.db2.gz AVXSNWOQUAJGIE-LFIBNONCSA-N 0 2 437.795 5.015 40 10 IKCBLN Cc1cccc(Cn2cc(C=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)c1 ZINC000035129041 524492439 /nfs/dbraw/zinc/49/24/39/524492439.db2.gz HICBSRPCMSAZDE-BUVRLJJBSA-N 0 2 449.510 5.813 40 10 IKCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)cc1 ZINC000408866572 556459106 /nfs/dbraw/zinc/45/91/06/556459106.db2.gz GJSZDCYVKNTJCS-CJLVFECKSA-N 0 2 444.918 5.160 40 10 IKCBLN Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1 ZINC000408870676 556461750 /nfs/dbraw/zinc/46/17/50/556461750.db2.gz XASUUJTXTVBHRZ-OEAKJJBVSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Cc3ccccc3F)c(Cl)c2)C1=O ZINC000408871602 556463551 /nfs/dbraw/zinc/46/35/51/556463551.db2.gz ZYRVJWUGKSLOLZ-XDHOZWIPSA-N 0 2 448.881 5.045 40 10 IKCBLN Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408878179 556468540 /nfs/dbraw/zinc/46/85/40/556468540.db2.gz XMNMEMUXLFBTLR-OEAKJJBVSA-N 0 2 444.918 5.214 40 10 IKCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000015013375 556484126 /nfs/dbraw/zinc/48/41/26/556484126.db2.gz MVDAJMCVDFLUCS-ZHZULCJRSA-N 0 2 434.904 5.158 40 10 IKCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408911333 556497709 /nfs/dbraw/zinc/49/77/09/556497709.db2.gz MYUWGWXSZQTIRO-GDNBJRDFSA-N 0 2 445.233 5.059 40 10 IKCBLN [O-]c1c(Cl)cc(Cl)cc1[C@H]1N2c3ccccc3-n3cccc3[C@@H]2[C@H]2CCCC[N@@H+]21 ZINC000031761513 556526245 /nfs/dbraw/zinc/52/62/45/556526245.db2.gz BOKCTHBMFIEXGP-MQSCRBSSSA-N 0 2 426.347 5.918 40 10 IKCBLN [O-]c1c(Cl)cc(Cl)cc1[C@H]1N2c3ccccc3-n3cccc3[C@@H]2[C@H]2CCCC[N@H+]21 ZINC000031761513 556526247 /nfs/dbraw/zinc/52/62/47/556526247.db2.gz BOKCTHBMFIEXGP-MQSCRBSSSA-N 0 2 426.347 5.918 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1 ZINC000083318133 556663739 /nfs/dbraw/zinc/66/37/39/556663739.db2.gz ZMMSIIOIYJZVSZ-KGENOOAVSA-N 0 2 446.890 5.734 40 10 IKCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(=Nc1ccc(Br)c(C)c1)C(F)(F)F ZINC000409000317 556710375 /nfs/dbraw/zinc/71/03/75/556710375.db2.gz VIUBAHBOHKINJX-MSUUIHNZSA-N 0 2 438.247 5.409 40 10 IKCBLN O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409012598 556715803 /nfs/dbraw/zinc/71/58/03/556715803.db2.gz QTBHIZJZVAJHHK-XNTDXEJSSA-N 0 2 445.233 5.059 40 10 IKCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2c(OC(C)C)ccc3ccccc32)C1=O ZINC000408819607 556865668 /nfs/dbraw/zinc/86/56/68/556865668.db2.gz ZPIDORGBAOVRRI-DEDYPNTBSA-N 0 2 448.906 5.255 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cc3ccccc3Cl)C2=O)cc1C ZINC000408865358 556873277 /nfs/dbraw/zinc/87/32/77/556873277.db2.gz BYOWAOFVJKWNBE-PXLXIMEGSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 ZINC000408867769 556873989 /nfs/dbraw/zinc/87/39/89/556873989.db2.gz NJINDOOYSIVLFJ-PCLIKHOPSA-N 0 2 438.527 5.177 40 10 IKCBLN Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000408871298 556875007 /nfs/dbraw/zinc/87/50/07/556875007.db2.gz ZBPHMSFHCYOTIM-HZHRSRAPSA-N 0 2 444.918 5.214 40 10 IKCBLN Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408876577 556876602 /nfs/dbraw/zinc/87/66/02/556876602.db2.gz QCZZFYUDPFYUGA-PCLIKHOPSA-N 0 2 438.527 5.177 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)c(C)c1 ZINC000408876976 556876846 /nfs/dbraw/zinc/87/68/46/556876846.db2.gz ROVHSKNLMQVIEL-LFVJCYFKSA-N 0 2 438.527 5.177 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccccc2Cc2cccc(F)c2)C1=O ZINC000408882090 556878468 /nfs/dbraw/zinc/87/84/68/556878468.db2.gz PMHZFJPKXBGQSN-XSFVSMFZSA-N 0 2 448.881 5.045 40 10 IKCBLN O=C1/C(=C\c2cc(Cl)c(O)c(Br)c2)SC(=S)N1c1ccccc1 ZINC000408900929 556882336 /nfs/dbraw/zinc/88/23/36/556882336.db2.gz ADZUQIYABMZUMB-MDWZMJQESA-N 0 2 426.744 5.214 40 10 IKCBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000408975624 556906027 /nfs/dbraw/zinc/90/60/27/556906027.db2.gz BKCJNNIZBGEEBN-LICLKQGHSA-N 0 2 433.678 5.368 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408987888 556910200 /nfs/dbraw/zinc/91/02/00/556910200.db2.gz PFWBOVJLIKKAEU-NDENLUEZSA-N 0 2 439.943 5.238 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000409073232 556946467 /nfs/dbraw/zinc/94/64/67/556946467.db2.gz GGMLUCBYLYOLHZ-KGENOOAVSA-N 0 2 448.931 5.466 40 10 IKCBLN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000409229594 557055635 /nfs/dbraw/zinc/05/56/35/557055635.db2.gz RQAYGPALOOMMPF-KGENOOAVSA-N 0 2 448.931 5.466 40 10 IKCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccccc2Sc2ccccc2)C1=O ZINC000409247348 557080296 /nfs/dbraw/zinc/08/02/96/557080296.db2.gz NAQXGFSVYRZJLH-JXAWBTAJSA-N 0 2 448.931 5.466 40 10 IKCBLN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cccc(OC)c1OC ZINC000103919335 557140215 /nfs/dbraw/zinc/14/02/15/557140215.db2.gz IRSLRDUHQRJYQC-ZHZULCJRSA-N 0 2 436.537 5.202 40 10 IKCBLN CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cccc(OC)c1OC ZINC000103919335 557140218 /nfs/dbraw/zinc/14/02/18/557140218.db2.gz IRSLRDUHQRJYQC-ZHZULCJRSA-N 0 2 436.537 5.202 40 10 IKCBLN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc([N+](=O)[O-])ccc1C ZINC000103919151 557140648 /nfs/dbraw/zinc/14/06/48/557140648.db2.gz VCUZUWCESWXRAZ-ZHZULCJRSA-N 0 2 435.509 5.402 40 10 IKCBLN CC(=Nc1cc(Cl)ccc1Cl)c1c(=O)n(-c2ccc(F)cc2)[nH]c1-c1ccccc1 ZINC000103920936 557140922 /nfs/dbraw/zinc/14/09/22/557140922.db2.gz SFWTYCSQLRPZEV-STZFKDTASA-N 0 2 440.305 6.270 40 10 IKCBLN CC(Nc1ccccc1Cl)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103920875 557140975 /nfs/dbraw/zinc/14/09/75/557140975.db2.gz YZHGUMMYFGJEMU-QNGOZBTKSA-N 0 2 444.947 6.087 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)c1 ZINC000408742455 557150429 /nfs/dbraw/zinc/15/04/29/557150429.db2.gz WQAJAYQPFVQPTQ-WJDWOHSUSA-N 0 2 441.270 5.228 40 10 IKCBLN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 ZINC000408756108 557174514 /nfs/dbraw/zinc/17/45/14/557174514.db2.gz XOVOOURUEXYCNO-ATVHPVEESA-N 0 2 448.862 5.434 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408763493 557180097 /nfs/dbraw/zinc/18/00/97/557180097.db2.gz SLHKMRUQQCPXLH-CIAFOILYSA-N 0 2 447.922 5.031 40 10 IKCBLN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1C(C)=Nc1cc(Cl)ccc1Cl ZINC000112293089 557239155 /nfs/dbraw/zinc/23/91/55/557239155.db2.gz QIYQDEHJWLWRNU-UNOMPAQXSA-N 0 2 433.295 5.790 40 10 IKCBLN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Cl ZINC000112293089 557239157 /nfs/dbraw/zinc/23/91/57/557239157.db2.gz QIYQDEHJWLWRNU-UNOMPAQXSA-N 0 2 433.295 5.790 40 10 IKCBLN CC(=Nc1ccccc1Sc1ccccc1)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112296361 557239631 /nfs/dbraw/zinc/23/96/31/557239631.db2.gz HKYIMPQHDRXWOZ-KQWNVCNZSA-N 0 2 444.516 5.855 40 10 IKCBLN CCOC(=O)c1ccc(N=N[C@@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 ZINC000100510935 557263366 /nfs/dbraw/zinc/26/33/66/557263366.db2.gz GYICOCZDAFZWFB-QTJUSOIVSA-N 0 2 447.520 5.170 40 10 IKCBLN CCOC(=O)c1ccc(N=N[C@H]2C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2C)cc1 ZINC000100510931 557263382 /nfs/dbraw/zinc/26/33/82/557263382.db2.gz GYICOCZDAFZWFB-RMBMZXQHSA-N 0 2 447.520 5.170 40 10 IKCBLN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000223258462 557451737 /nfs/dbraw/zinc/45/17/37/557451737.db2.gz MDRZLRMMDJDELZ-UHFFFAOYSA-N 0 2 429.350 5.316 40 10 IKCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1 ZINC000223552000 557484951 /nfs/dbraw/zinc/48/49/51/557484951.db2.gz WENYSGVWYMKCIC-OVBDPADQSA-N 0 2 445.563 5.162 40 10 IKCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)c1 ZINC000223552207 557485025 /nfs/dbraw/zinc/48/50/25/557485025.db2.gz QLOIOLNGZNWLDE-SDLXJUDFSA-N 0 2 445.563 5.162 40 10 IKCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223558596 557485705 /nfs/dbraw/zinc/48/57/05/557485705.db2.gz PCMATBAKCDYIGK-SXZORUHJSA-N 0 2 445.563 5.162 40 10 IKCBLN CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223578647 557488213 /nfs/dbraw/zinc/48/82/13/557488213.db2.gz JSJCDJIVGMLMMC-OVBDPADQSA-N 0 2 445.563 5.082 40 10 IKCBLN COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000019635893 557502769 /nfs/dbraw/zinc/50/27/69/557502769.db2.gz BCGYLECXECPKIS-QJOMJCCJSA-N 0 2 442.475 5.049 40 10 IKCBLN COc1ccc(-c2[nH]n(-c3ccccc3)c(=O)c2C(C)=Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000019635893 557502771 /nfs/dbraw/zinc/50/27/71/557502771.db2.gz BCGYLECXECPKIS-QJOMJCCJSA-N 0 2 442.475 5.049 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000033331256 557807419 /nfs/dbraw/zinc/80/74/19/557807419.db2.gz CXJWZWOLHGIMRP-OEAKJJBVSA-N 0 2 427.504 5.526 40 10 IKCBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(O)cc1 ZINC000059104648 557814328 /nfs/dbraw/zinc/81/43/28/557814328.db2.gz NXWJVADQDLASCN-FSJBWODESA-N 0 2 442.515 5.367 40 10 IKCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000059134983 557815095 /nfs/dbraw/zinc/81/50/95/557815095.db2.gz MDHGNIANSAZZDW-MHWRWJLKSA-N 0 2 445.233 5.899 40 10 IKCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059137281 557816028 /nfs/dbraw/zinc/81/60/28/557816028.db2.gz SELFYUHXLNONLX-RGVLZGJSSA-N 0 2 437.858 5.393 40 10 IKCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)c1 ZINC000059137930 557816075 /nfs/dbraw/zinc/81/60/75/557816075.db2.gz VCCHUGNMDUROQP-XSFVSMFZSA-N 0 2 448.500 5.645 40 10 IKCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 ZINC000059137947 557816117 /nfs/dbraw/zinc/81/61/17/557816117.db2.gz AEMNNKXFXNUHKY-XSFVSMFZSA-N 0 2 432.501 5.808 40 10 IKCBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1cccs1 ZINC000059860454 557827843 /nfs/dbraw/zinc/82/78/43/557827843.db2.gz OBOYRVOAEHQQDY-SRZZPIQSSA-N 0 2 432.545 5.723 40 10 IKCBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)ccc1Br ZINC000059859521 557827884 /nfs/dbraw/zinc/82/78/84/557827884.db2.gz KDWOGEDDCHXVTR-GZTJUZNOSA-N 0 2 427.298 5.388 40 10 IKCBLN CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000107872852 569251490 /nfs/dbraw/zinc/25/14/90/569251490.db2.gz GHIRBSTZMGFBIP-XSFVSMFZSA-N 0 2 440.927 5.274 40 10 IKCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000033634683 569259534 /nfs/dbraw/zinc/25/95/34/569259534.db2.gz UAFXTJXFQOYFGT-WQRHYEAKSA-N 0 2 439.298 5.034 40 10 IKCBLN